Suncillin
TL;DR: Suncillin (CAS 22164-94-9) is a chemical compound with molecular formula C16H19N3O7S2 and molecular weight 429.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[2-phenyl-2-(sulfoamino)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Suncillin, 6-(D-alpha-Sulfoaminophenylacetamido)penicillanic acid, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[2-phenyl-2-(sulfoamino)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2s,5r,6r)-3,3-dimethyl-7-oxo-6-{[phenyl(sulfoamino)acetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[[phenyl(sulfoamino)acetyl]amino]-, [2S-[2.alpha.,5.alpha.,6.beta.(S*)]]-
| Molecular Formula | C16H19N3O7S2 |
|---|---|
| Molecular Weight | 429.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 187.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.06644 |
| Heavy Atoms | 28 |
| Complexity | 774.0 |
Chemical Identifiers
| CAS Number | 22164-94-9 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)NS(=O)(=O)O)C(=O)O)C |
| InChIKey | OIECDSKSPRTZHG-UWFZAAFLSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Suncillin (CAS 22164-94-9), with molecular formula C16H19N3O7S2 and molecular weight 429.07 g/mol. IUPAC: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[2-phenyl-2-(sulfoamino)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of Suncillin
Property Insights of Suncillin
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Suncillin. The TPSA of 187.0 Ų indicates high polarity, suggesting Suncillin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Suncillin has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Suncillin?
The CAS number of Suncillin is 22164-94-9.
What is the molecular formula of Suncillin?
The molecular formula of Suncillin is C16H19N3O7S2.
What is the molecular weight of Suncillin?
The molecular weight of Suncillin is 429.07 g/mol.
Where can I buy Suncillin?
You can request a quote for Suncillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Suncillin?
Yes, KEHONG BIO provides custom synthesis services for Suncillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.